Dynamics of hydrogen bonding and energy transfer in matrix-assisted laser desorption
A molecular dynamics simulation of matrix-assisted laser desorption is presented for host and guest particles with internal structure. The laser-induced phase transition is modeled in a hemispherical volume of pyridine-3-carboxylic acid matrix seeded with a leucine enkephalin guest molecule. Followi...
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Published in | Chemical physics letters Vol. 247; no. 1; pp. 142 - 148 |
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Main Authors | , |
Format | Journal Article |
Language | English |
Published |
Elsevier B.V
15.12.1995
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Online Access | Get full text |
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Summary: | A molecular dynamics simulation of matrix-assisted laser desorption is presented for host and guest particles with internal structure. The laser-induced phase transition is modeled in a hemispherical volume of pyridine-3-carboxylic acid matrix seeded with a leucine enkephalin guest molecule. Following an instantaneous temperature jump to 1500 K, representing the laser excitation, the network of hydrogen bonds is disrupted in approximately 3 ps. After a 0.7 ps segregation period, the guest molecule is entrained by the evaporating matrix molecules. The guest lift-off velocity is estimated at ≈ 156 m/s, a value about a factor of two lower than measured for neutral matrix molecules in similar systems. |
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ISSN: | 0009-2614 1873-4448 |
DOI: | 10.1016/0009-2614(95)01179-1 |